[(E)-3-ethylhept-4-en-3-yl]azanium chloride

C9H20ClN — CID 6434664

IUPAC[(E)-3-ethylhept-4-en-3-yl]azanium chloride
SMILESCC/C=C/C([NH3+])(CC)CC.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-4-7-8-9(10,5-2)6-3;/h7-8H,4-6,10H2,1-3H3;1H/b8-7+;
InChIKeyLQHASEZCTUISGA-USRGLUTNSA-N
MW177.72 g/mol
LogP-1.24
Rot. Bonds4

About [(E)-3-ethylhept-4-en-3-yl]azanium chloride

[(E)-3-ethylhept-4-en-3-yl]azanium chloride (PubChem CID 6434664) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is [(E)-3-ethylhept-4-en-3-yl]azanium chloride.

Molecular Properties

Compound Name[(E)-3-ethylhept-4-en-3-yl]azanium chloride
PubChem CID6434664
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name[(E)-3-ethylhept-4-en-3-yl]azanium chloride
SMILESCC/C=C/C([NH3+])(CC)CC.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-4-7-8-9(10,5-2)6-3;/h7-8H,4-6,10H2,1-3H3;1H/b8-7+;
InChIKeyLQHASEZCTUISGA-USRGLUTNSA-N
XLogP-1.24
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-ethylhept-4-en-3-yl]azanium chloride?
The IUPAC name of [(E)-3-ethylhept-4-en-3-yl]azanium chloride (CID 6434664) is [(E)-3-ethylhept-4-en-3-yl]azanium chloride.
What is the SMILES notation for [(E)-3-ethylhept-4-en-3-yl]azanium chloride?
The canonical SMILES for [(E)-3-ethylhept-4-en-3-yl]azanium chloride is CC/C=C/C([NH3+])(CC)CC.[Cl-].
What is the InChIKey of [(E)-3-ethylhept-4-en-3-yl]azanium chloride?
The InChIKey is LQHASEZCTUISGA-USRGLUTNSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-4-7-8-9(10,5-2)6-3;/h7-8H,4-6,10H2,1-3H3;1H/b8-7+;.
What are the key properties of [(E)-3-ethylhept-4-en-3-yl]azanium chloride?
[(E)-3-ethylhept-4-en-3-yl]azanium chloride has a molecular weight of 177.72 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethylhept-4-en-3-yl]azanium chloride is sourced from PubChem (CID 6434664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).